Bk-1229 (CHEBI:209313)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209313 - Bk-1229

Take structure to advanced search

ChEBI ID	CHEBI:209313
ChEBI Name	Bk-1229
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C52H83N11O23
Net Charge	0
Average Mass	1230.290
Monoisotopic Mass	1229.56633
SMILES	CCCCCCCCCCCC(O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)C(O)C(O)CC1CC(=O)N[C@H](CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)N1
InChI	InChI=1S/C52H83N11O23/c1-2-3-4-5-6-7-8-9-10-11-33(86-52-44(77)42(75)32(68)23-85-52)41(74)31(67)16-25-17-36(71)59-29(21-64)48(81)62-38(40(73)24-12-14-26(66)15-13-24)51(84)60-27(18-34(53)69)46(79)56-20-37(72)58-28(19-35(54)70)47(80)61-30(22-65)49(82)63-39(50(83)57-25)43(76)45(55)78/h12-15,25,27-33,38-44,52,64-68,73-77H,2-11,16-23H2,1H3,(H2,53,69)(H2,54,70)(H2,55,78)(H,56,79)(H,57,83)(H,58,72)(H,59,71)(H,60,84)(H,61,80)(H,62,81)(H,63,82)/t25?,27-,28+,29-,30+,31?,32+,33?,38?,39+,40?,41?,42-,43+,44+,52-/m1/s1
InChIKey	WATGQJRVYCRUDS-TWEVVRIGSA-N

Species of Metabolite	Component	Source	Comments
Burkholderia ambifaria (ncbitaxon:152480)	-	PubMed (20085289)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Bk-1229 (CHEBI:209313) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[(3S,6S,9S,15R,21R)-9,15-bis(2-amino-2-oxoethyl)-25-[2,3-dihydroxy-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide

Manual Xrefs	Databases
78445451	ChemSpider